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1 . Academic Journal
DFT insight into metals and ligands substitution effects on reactivity of phenoxy-imine catalysts for ethylene polymerization
저자
by
Apilardmongkol, Pavee
;
Ratanasak, Manussada
;
Hasegawa, Jun-ya
;
Parasuk, Vudhichai
.
소스
In
Journal of Molecular Graphics and Modelling
December 2023 125
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6 . Academic Journal
MD studies of methanol confined in the metal-organic framework MOF MIL-88B-Cl
저자
by
Siwaipram, Siwarut
;
Bopp, Philippe A.
;
Ponchai, Panyapat
;
Soetens, Jean-Christophe
;
Hasegawa, Jun-ya
, et al.
소스
In
Journal of Molecular Liquids
1 August 2022 359
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7 . Academic Journal
Electrostatic Stabilization of Single-Atom Catalysts by Ionic Liquids
저자
by
Ding, Shipeng
;
Guo, Yalin
;
Hülsey, Max J.
;
Zhang, Bin
;
Asakura, Hiroyuki
, et al.
소스
In
Chem
12 December 2019 5(12):3207-3219
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7 . Academic Journal
Adsorption mediated tandem acid catalyzed cellulose hydrolysis by ortho-substituted benzoic acids
저자
by
De Chavez, Danjo P.
;
Gao, Min
;
Kobayashi, Hirokazu
;
Fukuoka, Atsushi
;
Hasegawa, Jun-ya
.
소스
In
Molecular Catalysis
October 2019 475
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7 . Report
Metastable structure of photoexcited WO$_{3}$ determined by the pump--probe extended X-ray absorption fine structure spectroscopy and constrained thorough search analysis
저자
by
Kido, Daiki
;
Uehara, Hiromitsu
;
Takakusagi, Satoru
;
Hasegawa, Jun-ya
;
Asakura, Kiyotaka
, et al.
소스
Open Access (Arxiv)
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7 . Academic Journal
Theoretical investigation of the β value of the phenylene and phenylene ethynylene units by evaluating exchange interaction between organic radicals
저자
by
Nishizawa, Shohei
;
Hasegawa, Jun-ya
;
Matsuda, Kenji
.
소스
In
Chemical Physics Letters
3 January 2013 555:187-190
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5 . Academic Journal
A Multiconfigurational Wave Function Theoretical Study on Electronic Structure and Magnetic Susceptibility of Dilanthanide Single Molecule Magnet.
저자
by
Chen, Yue
;
Miyazaki, Ray
;
Sakaki, Shigeyoshi
;
Hasegawa, Jun-ya
.
소스
Journal of Physical Chemistry A; 1/11/2024, Vol. 128 Issue 1, p81-88, 8p
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6 . Academic Journal
Dimethyl carbonate synthesis from CO
2
and methanol over CeO
2
: elucidating the surface intermediates and oxygen vacancy-assisted reaction mechanism.
저자
by
Stoian, Dragos
;
Sugiyama, Toshiyuki
;
Bansode, Atul
;
Medina, Francisco
;
van Beek, Wouter
, et al.
소스
Chemical Science; 12/21/2023, Vol. 14 Issue 47, p13908-13914, 7p
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7 . Academic Journal
Isolated Pt Atoms Embedded in CuO Nanocatalysts for Selective Oxidation of Ammonia.
저자
by
Lan, Tianwei
;
Gao, Min
;
Hasegawa, Jun-ya
;
Shen, Yongjie
;
Qu, Wenqiang
, et al.
소스
ACS Catalysis; 11/3/2023, Vol. 13 Issue 21, p14070-14079, 10p
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7 . Academic Journal
Chemical-intuition based LMO transformation simplifies excited-state wave functions of peptides
저자
by
Hasegawa, Jun-ya
;
Kawatsu, Tsutomu
;
Toyota, Kazuo
;
Matsuda, Kenji
.
소스
In
Chemical Physics Letters
18 May 2011 508(1-3):171-176
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